2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

C31H29N3O3 — CID 71132679

IUPAC2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc5cc(OC)ccc5c4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C31H29N3O3/c1-35-27-9-3-21(4-10-27)19-37-20-26-8-12-29-33-30(31(34(26)29)22-13-15-32-16-14-22)25-6-5-24-18-28(36-2)11-7-23(24)17-25/h3-7,9-11,13-18,26H,8,12,19-20H2,1-2H3
InChIKeyDYWPNFUEPAEBPJ-UHFFFAOYSA-N
MW491.59 g/mol
LogP6.49
Rot. Bonds8

About 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole

2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (PubChem CID 71132679) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
PubChem CID71132679
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC Name2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
SMILESCOc1ccc(COCC2CCc3nc(-c4ccc5cc(OC)ccc5c4)c(-c4ccncc4)n32)cc1
InChIInChI=1S/C31H29N3O3/c1-35-27-9-3-21(4-10-27)19-37-20-26-8-12-29-33-30(31(34(26)29)22-13-15-32-16-14-22)25-6-5-24-18-28(36-2)11-7-23(24)17-25/h3-7,9-11,13-18,26H,8,12,19-20H2,1-2H3
InChIKeyDYWPNFUEPAEBPJ-UHFFFAOYSA-N
XLogP6.49
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole (CID 71132679) is 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is COc1ccc(COCC2CCc3nc(-c4ccc5cc(OC)ccc5c4)c(-c4ccncc4)n32)cc1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
The InChIKey is DYWPNFUEPAEBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-35-27-9-3-21(4-10-27)19-37-20-26-8-12-29-33-30(31(34(26)29)22-13-15-32-16-14-22)25-6-5-24-18-28(36-2)11-7-23(24)17-25/h3-7,9-11,13-18,26H,8,12,19-20H2,1-2H3.
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole?
2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole has a molecular weight of 491.59 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-5-[(4-methoxyphenyl)methoxymethyl]-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole is sourced from PubChem (CID 71132679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).